9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole

C69H42F3N3S — CID 146562799

IUPAC9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
SMILESFC(F)(F)c1ccnc2c(-c3c(-c4ccccc4)c(-c4ccccc4)c4sc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5c4c3-n3c4ccccc4c4ccccc43)ccnc12
InChIInChI=1S/C69H42F3N3S/c70-69(71,72)52-40-42-73-64-51(39-41-74-65(52)64)61-58(46-29-13-4-14-30-46)60(48-33-17-6-18-34-48)68-63(66(61)75-53-37-21-19-35-49(53)50-36-20-22-38-54(50)75)62-57(45-27-11-3-12-28-45)55(43-23-7-1-8-24-43)56(44-25-9-2-10-26-44)59(67(62)76-68)47-31-15-5-16-32-47/h1-42H
InChIKeyKWKPIVUQHPKWRE-UHFFFAOYSA-N
MW1002.18 g/mol
LogP19.78
Rot. Bonds8

About 9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole

9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole (PubChem CID 146562799) has the molecular formula C69H42F3N3S and a molecular weight of 1002.18 g/mol. Its IUPAC name is 9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole.

Molecular Properties

Compound Name9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
PubChem CID146562799
Molecular FormulaC69H42F3N3S
Molecular Weight1002.18 g/mol
Exact Mass1001.31
IUPAC Name9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole
SMILESFC(F)(F)c1ccnc2c(-c3c(-c4ccccc4)c(-c4ccccc4)c4sc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5c4c3-n3c4ccccc4c4ccccc43)ccnc12
InChIInChI=1S/C69H42F3N3S/c70-69(71,72)52-40-42-73-64-51(39-41-74-65(52)64)61-58(46-29-13-4-14-30-46)60(48-33-17-6-18-34-48)68-63(66(61)75-53-37-21-19-35-49(53)50-36-20-22-38-54(50)75)62-57(45-27-11-3-12-28-45)55(43-23-7-1-8-24-43)56(44-25-9-2-10-26-44)59(67(62)76-68)47-31-15-5-16-32-47/h1-42H
InChIKeyKWKPIVUQHPKWRE-UHFFFAOYSA-N
XLogP19.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.18
LogP ≤ 519.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole?
The IUPAC name of 9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole (CID 146562799) is 9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole.
What is the SMILES notation for 9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole?
The canonical SMILES for 9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole is FC(F)(F)c1ccnc2c(-c3c(-c4ccccc4)c(-c4ccccc4)c4sc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c5c4c3-n3c4ccccc4c4ccccc43)ccnc12.
What is the InChIKey of 9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole?
The InChIKey is KWKPIVUQHPKWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42F3N3S/c70-69(71,72)52-40-42-73-64-51(39-41-74-65(52)64)61-58(46-29-13-4-14-30-46)60(48-33-17-6-18-34-48)68-63(66(61)75-53-37-21-19-35-49(53)50-36-20-22-38-54(50)75)62-57(45-27-11-3-12-28-45)55(43-23-7-1-8-24-43)56(44-25-9-2-10-26-44)59(67(62)76-68)47-31-15-5-16-32-47/h1-42H.
What are the key properties of 9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole?
9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole has a molecular weight of 1002.18 g/mol, XLogP of 19.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,4,6,7,8,9-hexakis-phenyl-2-[8-(trifluoromethyl)-1,5-naphthyridin-4-yl]dibenzothiophen-1-yl]carbazole is sourced from PubChem (CID 146562799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).